SCHEMBL449230

SCHEMBL449230

COC(=O)CCCCCN1Cc2c(Br)cccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
KAT2B Q92831 1/20 0.39
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
PTPRC P08575 2/20 0.38
PTPN13 Q12923 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL450241 0.85 KDM4E (0.53) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL450529 0.85 DRD2 (0.46) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL446713 0.79 HDAC3 (0.46) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL2728733 0.78 KDM4E (0.40) HDAC6HDAC8HDAC3HDAC1ALDH1A1
SCHEMBL447009 0.78 HDAC1 (0.73) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL2730891 0.77 KDM4E (0.61) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL438402 0.76 HDAC1 (0.42) HDAC6HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL31440135 0.76 HTR1A (0.46) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL20596029 0.73 ALOX15 (0.52) ALDH1A1GAAMEN1KMT2AALOX15
SCHEMBL437105 0.73 FAAH (0.40) HDAC6HDAC8HDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL HDAC6 467/4885HDAC8 1074/4885HDAC3 638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.